ChemSpider 2D Image | Phenyl (1S,2S,3S,5S)-3-[4-(~123~I)iodophenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C21H22123INO2

Phenyl (1S,2S,3S,5S)-3-[4-(123I)iodophenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC21H22123INO2
  • Average mass443.405 Da
  • Monoisotopic mass443.165039 Da
  • ChemSpider ID396161

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2S,3S,5S)-3-[4-(123I)Iodophényl]-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate de phényle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[4-(iodo-123I)phenyl]-8-methyl-, phenyl ester, (1S,2S,3S,5S)- [ACD/Index Name]
Phenyl (1S,2S,3S,5S)-3-[4-(123I)iodophenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Phenyl-(1S,2S,3S,5S)-3-[4-(123I)iodphenyl]-8-methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MOLI000092 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 303.4±3.0 cm3

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